Compound | herbacetin 3,8,4'-trimethyl ether |
NPACT-Id | NPACT01224 |
IUPAC | - |
Synonyms | 5,4'-Dihydroxy-3,7,8-trimethoxyflavone;5-hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxychromen-4-one;4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-;; |
PubChem Id | - |
Class | Flavonoid |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | BRQLNEYSTDBILN-UHFFFAOYSA-N |
InChi | 1S/C18H16O6/c1-9-4-6-10(7-5-9)15-18(23-3)14(21)13-11(19)8-12(20)16(22-2)17(13)24-15/h4-8,19-20H,1-3H3 |
SMILES | c1(c(cc(c2c1oc(c(c2=O)OC)c1ccc(cc1)C)O)O)OC |
SMART | [#6]OC1=C(O)C=C(O)C2=C1OC(=C(O[#6])C2=O)C1=CC=C([#6])C=C1 |
CAS No. | 6586-29-4 |
|
Structure Download |
|
Cross Refrence in other databases |
Super Natural | - |
CTD | - |
HIT | - |
NCI-60 GI50 data | - |
Suppliers | ABI Chem, |
Drug-Likeliness Filters | Lipinski's rule of five | Yes |
Ghose filter | No |
Veber filter | Yes |
Muegge Filter | Yes |
Similarity Search | Human metabolite database | FDA approved drugs |